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Compile Data Set for Download or QSAR

Found 1356 hits with Last Name = 'liljefors' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50005120
PNG
(CHEMBL274491 | N-((2S,3S)-1-Benzyl-2-methyl-pyrrol...)
Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)/t14-,18-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI


J Med Chem 35: 2355-63 (1992)


BindingDB Entry DOI: 10.7270/Q2R2120B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479287
PNG
(CHEMBL487686)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-6-19(23)17-13-22-18-8-7-14(11-16(18)20(17)24)10-15-5-4-9-21-12-15/h4-5,7-9,11-13H,2-3,6,10H2,1H3,(H,22,24)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479291
PNG
(CHEMBL469477)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C21H21NO2/c1-2-3-9-20(23)18-14-22-19-11-10-16(13-17(19)21(18)24)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,22,24)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479296
PNG
(CHEMBL488283)
Show SMILES CCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50333162
PNG
(2-(4-Methylphenyl)-9-[2-(3-thienyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)
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0.140n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...


Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479299
PNG
(CHEMBL487687)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccccn3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)
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0.140n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.200n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.200n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50122815
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN8O/c1-32-30-25(29-31-32)19-2-7-24-22(16-19)23(17-35(24)21-5-3-20(27)4-6-21)18-8-11-33(12-9-18)14-15-34-13-10-28-26(34)36/h2-7,16-18H,8-15H2,1H3,(H,28,36)
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0.230n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185292
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES CCOC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
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0.270n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185292
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES CCOC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
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0.270n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


J Med Chem 33: 2197-204 (1990)


BindingDB Entry DOI: 10.7270/Q2TD9XZB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



University of Lund

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-SCH- 23390 from dopamine receptor D1


J Med Chem 35: 502-7 (1992)


BindingDB Entry DOI: 10.7270/Q2TH8N95
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.330n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50122813
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3
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0.350n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.370n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479285
PNG
(CHEMBL471551)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O
Show InChI InChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)
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0.380n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479295
PNG
(CHEMBL487685)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccncc3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-4-19(23)17-13-22-18-6-5-15(12-16(18)20(17)24)11-14-7-9-21-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)
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0.390n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50122817
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...)
Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H30FN7O2/c1-37-20-34-30(36-37)22-6-11-29-26(18-22)27(19-40(29)24-9-7-23(33)8-10-24)21-12-14-38(15-13-21)16-17-39-31(41)25-4-2-3-5-28(25)35-32(39)42/h2-11,18-21H,12-17H2,1H3,(H,35,42)
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0.390n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Mus musculus (Mouse))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


J Med Chem 33: 2197-204 (1990)


BindingDB Entry DOI: 10.7270/Q2TD9XZB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50010707
PNG
(8-Chloro-3-methyl-5-m-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc(C)c1
Show InChI InChI=1S/C18H20ClNO/c1-12-4-3-5-13(8-12)16-11-20(2)7-6-14-9-17(19)18(21)10-15(14)16/h3-5,8-10,16,21H,6-7,11H2,1-2H3/t16-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


J Med Chem 33: 2197-204 (1990)


BindingDB Entry DOI: 10.7270/Q2TD9XZB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50333160
PNG
(9-Methyl-2-phenyl-2,6-dihydro[1,2,4]triazolo[4,3-c...)
Show SMILES Cc1ccc2[nH]c(=O)n3c(nn(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)
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0.430n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...


Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.450n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone (0.5 nM) from rat corpus striatum dopamine D2 receptor


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50122826
PNG
((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
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0.460n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50122799
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazo...)
Show SMILES Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H31FN6O/c1-32-12-10-26(31-32)21-2-7-27-24(18-21)25(19-35(27)23-5-3-22(29)4-6-23)20-8-13-33(14-9-20)16-17-34-15-11-30-28(34)36/h2-7,10,12,18-20H,8-9,11,13-17H2,1H3,(H,30,36)
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0.490n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479293
PNG
(CHEMBL520411)
Show SMILES O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)
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0.510n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.510n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine (0.5 nM) from rat 5-hydroxytryptamine 2C receptor expressed in SR-3T3 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479290
PNG
(CHEMBL488284)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CCc3ccccc3)cc2c1=O
Show InChI InChI=1S/C22H23NO2/c1-2-3-9-21(24)19-15-23-20-13-12-17(14-18(20)22(19)25)11-10-16-7-5-4-6-8-16/h4-8,12-15H,2-3,9-11H2,1H3,(H,23,25)
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0.530n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50122808
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-i...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Show InChI InChI=1S/C28H28FN5O2/c29-22-3-5-23(6-4-22)34-19-25(24-18-21(2-7-26(24)34)27-30-10-1-11-31-27)20-8-12-32(13-9-20)14-15-33-16-17-36-28(33)35/h1-7,10-11,18-20H,8-9,12-17H2
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0.560n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.560n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50122824
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...)
Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H29FN6O2/c1-31-18-29-26(30-31)20-2-7-25-23(16-20)24(17-34(25)22-5-3-21(28)4-6-22)19-8-10-32(11-9-19)12-13-33-14-15-36-27(33)35/h2-7,16-19H,8-15H2,1H3
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0.620n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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0.660n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50333163
PNG
(2-(4-Methylphenyl)-9-[2-(3-pyridyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4cccnc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)
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0.680n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...


Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50122813
PNG
(3-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-tetraz...)
Show SMILES Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7O2/c1-31-29-25(28-30-31)19-2-7-24-22(16-19)23(17-34(24)21-5-3-20(27)4-6-21)18-8-10-32(11-9-18)12-13-33-14-15-36-26(33)35/h2-7,16-18H,8-15H2,1H3
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0.690n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50333162
PNG
(2-(4-Methylphenyl)-9-[2-(3-thienyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)
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0.710n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...


Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50122811
PNG
(1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...)
Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H30FN7O/c1-32-18-30-26(31-32)20-2-7-25-23(16-20)24(17-35(25)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)
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0.800n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50010717
PNG
(8-Chloro-3-methyl-5-o-tolyl-2,3,4,5-tetrahydro-1H-...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1C
Show InChI InChI=1S/C18H20ClNO/c1-12-5-3-4-6-14(12)16-11-20(2)8-7-13-9-17(19)18(21)10-15(13)16/h3-6,9-10,16,21H,7-8,11H2,1-2H3/t16-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]- SCH 23390 against Dopamine receptor D1


J Med Chem 33: 2197-204 (1990)


BindingDB Entry DOI: 10.7270/Q2TD9XZB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM50293263
PNG
(2-(5-benzyl-2-hydroxyphenyl)-6-methyl-4H-chromen-4...)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Show InChI InChI=1S/C23H18O3/c1-15-7-10-22-18(11-15)21(25)14-23(26-22)19-13-17(8-9-20(19)24)12-16-5-3-2-4-6-16/h2-11,13-14,24H,12H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha1beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5713-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.092
BindingDB Entry DOI: 10.7270/Q2CF9Q3Z
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.830n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50122826
PNG
((Cyclazosin)[4-(4-Amino-6,7-dimethoxy-quinazolin-2...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)
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0.860n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479294
PNG
(CHEMBL487688)
Show SMILES O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
Show InChI InChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)
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0.880n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.930n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479292
PNG
(CHEMBL470283)
Show SMILES CCCCC(=O)c1c[nH]c2ccccc2c1=O
Show InChI InChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)
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0.970n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM50122810
PNG
(3-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]tr...)
Show SMILES Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6/c1-30-17-28-25(29-30)19-3-8-24-22(15-19)23(16-32(24)21-6-4-20(26)5-7-21)18-9-13-31(14-10-18)12-2-11-27/h3-8,15-18H,2,9-10,12-14H2,1H3
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0.990n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptor


J Med Chem 50: 4616-29 (2007)


Article DOI: 10.1021/jm070574f
BindingDB Entry DOI: 10.7270/Q2J67HRC
More data for this
Ligand-Target Pair
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